(2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one

C17H14O3 — CID 940903

IUPAC(2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O
InChIInChI=1S/C17H14O3/c1-11-5-3-4-6-12(11)9-16-17(18)14-8-7-13(19-2)10-15(14)20-16/h3-10H,1-2H3/b16-9-
InChIKeyXKZIXQXQVDIDCC-SXGWCWSVSA-N
MW266.30 g/mol
LogP3.62
Rot. Bonds2

About (2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one

(2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 940903) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
PubChem CID940903
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O
InChIInChI=1S/C17H14O3/c1-11-5-3-4-6-12(11)9-16-17(18)14-8-7-13(19-2)10-15(14)20-16/h3-10H,1-2H3/b16-9-
InChIKeyXKZIXQXQVDIDCC-SXGWCWSVSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one (CID 940903) is (2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one is COc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O.
What is the InChIKey of (2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is XKZIXQXQVDIDCC-SXGWCWSVSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-5-3-4-6-12(11)9-16-17(18)14-8-7-13(19-2)10-15(14)20-16/h3-10H,1-2H3/b16-9-.
What are the key properties of (2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 266.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-methoxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 940903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).